UCSF

ZINC44610114

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.35 -0.14 -54.76 3 8 1 90 249.302 3
Lo Low (pH 4.5-6) -1.35 2.06 -136.84 4 8 2 91 250.31 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )